≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488193830 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193830 |
| Canonical Smiles | CC1=CC(=C(C=C1[N+](=O)[O-])Br)F |
| IUPAC Name | 1-bromo-2-fluoro-4-methyl-5-nitrobenzene |
| InChIKey | MTTNTJRJOFVWSY-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])Br)F |
| WGK Germany | 3 |
| Molecular Weight | 234.02 |
| Reaxy-Rn | 9902089 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9902089&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitrotoluenes Nitroaromatic compounds Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Fluorobenzene - Halobenzene - Toluene - Aryl bromide - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1601023 | Certificate of Analysis | Aug 15, 2025 | B122775 |
| H2302338 | Certificate of Analysis | May 09, 2025 | B122775 |
| H2302341 | Certificate of Analysis | May 09, 2025 | B122775 |
| H2302344 | Certificate of Analysis | May 09, 2025 | B122775 |
| H2302345 | Certificate of Analysis | May 09, 2025 | B122775 |
| H2302346 | Certificate of Analysis | May 09, 2025 | B122775 |
| H2302347 | Certificate of Analysis | May 09, 2025 | B122775 |
| C2314211 | Certificate of Analysis | Mar 29, 2023 | B122775 |
| Melt Point(°C) | 59-63°C |
|---|---|
| Molecular Weight | 234.020 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 232.949 Da |
| Monoisotopic Mass | 232.949 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
